2-(2-phenylethoxy)-5-propan-2-ylaniline

C17H21NO — CID 54853034

IUPAC2-(2-phenylethoxy)-5-propan-2-ylaniline
SMILESCC(C)c1ccc(OCCc2ccccc2)c(N)c1
InChIInChI=1S/C17H21NO/c1-13(2)15-8-9-17(16(18)12-15)19-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11,18H2,1-2H3
InChIKeyRIKCATNKDPEXLG-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.01
Rot. Bonds5

About 2-(2-phenylethoxy)-5-propan-2-ylaniline

2-(2-phenylethoxy)-5-propan-2-ylaniline (PubChem CID 54853034) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-phenylethoxy)-5-propan-2-ylaniline.

Molecular Properties

Compound Name2-(2-phenylethoxy)-5-propan-2-ylaniline
PubChem CID54853034
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(2-phenylethoxy)-5-propan-2-ylaniline
SMILESCC(C)c1ccc(OCCc2ccccc2)c(N)c1
InChIInChI=1S/C17H21NO/c1-13(2)15-8-9-17(16(18)12-15)19-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11,18H2,1-2H3
InChIKeyRIKCATNKDPEXLG-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-(2-phenylethoxy)aniline
CID 54853306
5-bromo-2-(2-phenylethoxy)aniline
CID 26190375
2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
CID 65216960
2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline
CID 82132130
5-propan-2-yl-2-prop-2-enoxyaniline
CID 54852954
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938
5-(dimethoxymethyl)-2-phenylmethoxyaniline
CID 154099564
1-[3-amino-4-(2-phenylethoxy)phenyl]butan-1-one
CID 82064270
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde
CID 54795214
1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 43128588
2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine
CID 43450717

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)-5-propan-2-ylaniline?
The IUPAC name of 2-(2-phenylethoxy)-5-propan-2-ylaniline (CID 54853034) is 2-(2-phenylethoxy)-5-propan-2-ylaniline.
What is the SMILES notation for 2-(2-phenylethoxy)-5-propan-2-ylaniline?
The canonical SMILES for 2-(2-phenylethoxy)-5-propan-2-ylaniline is CC(C)c1ccc(OCCc2ccccc2)c(N)c1.
What is the InChIKey of 2-(2-phenylethoxy)-5-propan-2-ylaniline?
The InChIKey is RIKCATNKDPEXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)15-8-9-17(16(18)12-15)19-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11,18H2,1-2H3.
What are the key properties of 2-(2-phenylethoxy)-5-propan-2-ylaniline?
2-(2-phenylethoxy)-5-propan-2-ylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)-5-propan-2-ylaniline is sourced from PubChem (CID 54853034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).